乐胖代购免代理版

{"id":"https://openalex.org/W2045195070","doi":"https://doi.org/10.1093/nar/gkl211","title":"kinDOCK: a tool for comparative docking of protein kinase ligands","display_name":"kinDOCK: a tool for comparative docking of protein kinase ligands","publication_year":2006,"publication_date":"2006-07-01","ids":{"openalex":"https://openalex.org/W2045195070","doi":"https://doi.org/10.1093/nar/gkl211","mag":"2045195070","pmid":"https://pubmed.ncbi.nlm.nih.gov/16845019","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/1538843"},"language":"en","primary_location":{"is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkl211","pdf_url":"https://academic.oup.com/nar/article-pdf/34/suppl_2/W325/7623172/gkl211.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311647","https://openalex.org/P4310311648"],"host_organization_lineage_names":["University of Oxford","Oxford University Press"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true},"type":"article","type_crossref":"journal-article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://academic.oup.com/nar/article-pdf/34/suppl_2/W325/7623172/gkl211.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5107466267","display_name":"Laurent Martin","orcid":null},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"L. Martin","raw_affiliation_strings":["Atelier de Bio- et Chimie-Informatique Structurale, Centre de Biochimie Structurale, CNRS UMR5048, Montpellier, France."],"affiliations":[{"raw_affiliation_string":"Atelier de Bio- et Chimie-Informatique Structurale, Centre de Biochimie Structurale, CNRS UMR5048, Montpellier, France.","institution_ids":["https://openalex.org/I1294671590"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009391709","display_name":"Vincent Catherinot","orcid":null},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I4210100279","display_name":"Centre de Biologie Structurale","ror":"https://ror.org/0189yvq06","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I154526488","https://openalex.org/I19894307","https://openalex.org/I4210100279"]},{"id":"https://openalex.org/I154526488","display_name":"Inserm","ror":"https://ror.org/02vjkv261","country_code":"FR","type":"government","lineage":["https://openalex.org/I154526488"]},{"id":"https://openalex.org/I19894307","display_name":"Universit\u00e9 de Montpellier","ror":"https://ror.org/051escj72","country_code":"FR","type":"education","lineage":["https://openalex.org/I19894307"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"V. Catherinot","raw_affiliation_strings":["Atelier de Bio-et Chimie-Informatique Structurale, Centre de Biochimie Structurale, CNRS UMR5048, Montpellier, France,","INSERM U554 Montpellier, France and","Universite \u00b4s Montpellier I & Montpellier II, 29, rue de Navacelles 34090 Montpellier Cedex, France"],"affiliations":[{"raw_affiliation_string":"Atelier de Bio-et Chimie-Informatique Structurale, Centre de Biochimie Structurale, CNRS UMR5048, Montpellier, France,","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I4210100279"]},{"raw_affiliation_string":"INSERM U554 Montpellier, France and","institution_ids":["https://openalex.org/I154526488"]},{"raw_affiliation_string":"Universite \u00b4s Montpellier I & Montpellier II, 29, rue de Navacelles 34090 Montpellier Cedex, France","institution_ids":["https://openalex.org/I19894307"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5070275531","display_name":"Gilles Labesse","orcid":"https://orcid.org/0000-0002-6861-3300"},"institutions":[{"id":"https://openalex.org/I154526488","display_name":"Inserm","ror":"https://ror.org/02vjkv261","country_code":"FR","type":"government","lineage":["https://openalex.org/I154526488"]},{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I4210100279","display_name":"Centre de Biologie Structurale","ror":"https://ror.org/0189yvq06","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I154526488","https://openalex.org/I19894307","https://openalex.org/I4210100279"]},{"id":"https://openalex.org/I19894307","display_name":"Universit\u00e9 de Montpellier","ror":"https://ror.org/051escj72","country_code":"FR","type":"education","lineage":["https://openalex.org/I19894307"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"G. Labesse","raw_affiliation_strings":["Atelier de Bio-et Chimie-Informatique Structurale, Centre de Biochimie Structurale, CNRS UMR5048, Montpellier, France,","INSERM U554 Montpellier, France and","Universite \u00b4s Montpellier I & Montpellier II, 29, rue de Navacelles 34090 Montpellier Cedex, France"],"affiliations":[{"raw_affiliation_string":"INSERM U554 Montpellier, France and","institution_ids":["https://openalex.org/I154526488"]},{"raw_affiliation_string":"Atelier de Bio-et Chimie-Informatique Structurale, Centre de Biochimie Structurale, CNRS UMR5048, Montpellier, France,","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I4210100279"]},{"raw_affiliation_string":"Universite \u00b4s Montpellier I & Montpellier II, 29, rue de Navacelles 34090 Montpellier Cedex, France","institution_ids":["https://openalex.org/I19894307"]}]}],"institution_assertions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3630,"currency":"USD","value_usd":3630,"provenance":"doaj"},"apc_paid":{"value":3630,"currency":"USD","value_usd":3630,"provenance":"doaj"},"fwci":0.98,"has_fulltext":true,"fulltext_origin":"pdf","cited_by_count":22,"citation_normalized_percentile":{"value":0.823046,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":88},"biblio":{"volume":"34","issue":"Web Server","first_page":"W325","last_page":"W329"},"is_retracted":false,"is_paratext":false,"primary_topic":{"id":"https://openalex.org/T11157","display_name":"Chronic Lymphocytic Leukemia Research","score":0.9947,"subfield":{"id":"https://openalex.org/subfields/2716","display_name":"Genetics"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T11157","display_name":"Chronic Lymphocytic Leukemia Research","score":0.9947,"subfield":{"id":"https://openalex.org/subfields/2716","display_name":"Genetics"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10583","display_name":"Cancer-related Molecular Pathways","score":0.9936,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10492","display_name":"Microtubule and mitosis dynamics","score":0.9843,"subfield":{"id":"https://openalex.org/subfields/1307","display_name":"Cell Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.62923855},{"id":"https://openalex.org/keywords/protein-data-bank","display_name":"Protein Data Bank","score":0.57205796},{"id":"https://openalex.org/keywords/protein\u2013ligand-docking","display_name":"Protein\u2013ligand docking","score":0.43120405}],"concepts":[{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.66111934},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.62923855},{"id":"https://openalex.org/C119145174","wikidata":"https://www.wikidata.org/wiki/Q7251429","display_name":"Protein Data Bank","level":3,"score":0.57205796},{"id":"https://openalex.org/C97029542","wikidata":"https://www.wikidata.org/wiki/Q281417","display_name":"Protein kinase A","level":3,"score":0.55556095},{"id":"https://openalex.org/C65556437","wikidata":"https://www.wikidata.org/wiki/Q766195","display_name":"Protein Data Bank (RCSB PDB)","level":2,"score":0.54543114},{"id":"https://openalex.org/C184235292","wikidata":"https://www.wikidata.org/wiki/Q421851","display_name":"Kinase","level":2,"score":0.5141778},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.4967423},{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.47470087},{"id":"https://openalex.org/C77319485","wikidata":"https://www.wikidata.org/wiki/Q7251520","display_name":"Protein\u2013ligand docking","level":4,"score":0.43120405},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.42801952},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.4279504},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.40010095},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011494","descriptor_name":"Protein Kinases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":"","qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000255","descriptor_name":"Adenosine Triphosphate","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000255","descriptor_name":"Adenosine Triphosphate","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000255","descriptor_name":"Adenosine Triphosphate","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011494","descriptor_name":"Protein Kinases","qualifier_ui":"","qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011494","descriptor_name":"Protein Kinases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":"","qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkl211","pdf_url":"https://academic.oup.com/nar/article-pdf/34/suppl_2/W325/7623172/gkl211.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311647","https://openalex.org/P4310311648"],"host_organization_lineage_names":["University of Oxford","Oxford University Press"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true},{"is_oa":true,"landing_page_url":"https://europepmc.org/articles/pmc1538843","pdf_url":"https://europepmc.org/articles/pmc1538843?pdf=render","source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":["European Bioinformatics Institute"],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true},{"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1538843","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":["National Institutes of Health"],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true},{"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16845019","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":["National Institutes of Health"],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false}],"best_oa_location":{"is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkl211","pdf_url":"https://academic.oup.com/nar/article-pdf/34/suppl_2/W325/7623172/gkl211.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311647","https://openalex.org/P4310311648"],"host_organization_lineage_names":["University of Oxford","Oxford University Press"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true},"sustainable_development_goals":[],"grants":[],"datasets":[],"versions":[],"referenced_works_count":20,"referenced_works":["https://openalex.org/W1014698510","https://openalex.org/W139240031","https://openalex.org/W1968450779","https://openalex.org/W1974903851","https://openalex.org/W1983879963","https://openalex.org/W2017132056","https://openalex.org/W2040617462","https://openalex.org/W2057846043","https://openalex.org/W2067405360","https://openalex.org/W2074872461","https://openalex.org/W2094154229","https://openalex.org/W2097233276","https://openalex.org/W2112985612","https://openalex.org/W2114367386","https://openalex.org/W2126249062","https://openalex.org/W2134428146","https://openalex.org/W2138072853","https://openalex.org/W2150503843","https://openalex.org/W2166458835","https://openalex.org/W2170471837"],"related_works":["https://openalex.org/W585106548","https://openalex.org/W3041915240","https://openalex.org/W2115078847","https://openalex.org/W2088162897","https://openalex.org/W2077097504","https://openalex.org/W2062768126","https://openalex.org/W2061401330","https://openalex.org/W2055137136","https://openalex.org/W2020669016","https://openalex.org/W2000397010"],"abstract_inverted_index":{"KinDOCK":[0],"is":[1,17],"a":[2,59,91,101,119],"new":[3],"web":[4],"server":[5,163],"for":[6,58,112],"the":[7,20,41,67,72,76,86,143],"analysis":[8],"of":[9,12,22,33,104,122],"ATP-binding":[10],"sites":[11,126],"protein":[13,28,34,61,78,123],"kinases.":[14,29],"This":[15,46],"characterization":[16,121],"based":[18],"on":[19,157],"docking":[21],"ligands":[23,52,68],"already":[24],"co-crystallized":[25],"with":[26],"other":[27],"A":[30],"structural":[31,65],"library":[32,47],"kinase\u2013ligand":[35],"complexes":[36,74,82],"has":[37],"been":[38],"extracted":[39],"from":[40,71],"Protein":[42],"Data":[43],"Bank":[44],"(PDB).":[45],"can":[48,95,139],"provide":[49],"both":[50],"potential":[51,109],"and":[53,108,114,164],"their":[54],"putative":[55],"binding":[56],"orientation":[57],"given":[60],"kinase.":[62,79],"After":[63],"protein\u2013protein":[64],"superposition,":[66],"are":[69,83,167],"transferred":[70],"template":[73],"to":[75,89,99,132,150],"target":[77],"The":[80,162],"resulting":[81],"evaluated":[84],"using":[85],"program":[87],"SCORE":[88],"compute":[90],"theoretical":[92],"affinity.":[93,115],"They":[94],"be":[96,140],"dynamically":[97],"visualized":[98],"allow":[100,118],"rapid":[102],"mapping":[103],"important":[105],"steric":[106],"clashes":[107],"substitutions":[110],"relevant":[111],"specificity":[113],"These":[116,146],"characteristics":[117],"quick":[120],"kinase":[124],"active":[125],"including":[127],"conformation":[128],"changes":[129],"potentially":[130],"required":[131],"accommodate":[133],"particular":[134],"ligands.":[135],"Additionally,":[136],"promising":[137],"pharmacophores":[138],"identified":[141],"in":[142],"focussed":[144],"library.":[145],"features":[147],"will":[148],"help":[149],"rationalize":[151],"or":[152],"optimize":[153],"virtual":[154],"screening":[155],"(VS)":[156],"larger":[158],"chemical":[159],"compound":[160],"libraries.":[161],"its":[165],"documentation":[166],"freely":[168],"available":[169],"at":[170],"http://abcis.cbs.cnrs.fr/kindock/":[171],".":[172]},"cited_by_api_url":"https://api.openalex.org/works?filter=cites:W2045195070","counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2016,"cited_by_count":3},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":1}],"updated_date":"2024-12-09T10:50:20.083958","created_date":"2016-06-24"}